Molecule ID: mol383
SMILES: Nc1c2c(nc3ccccc13)-c1ccccc1CC2
InChI: InChI=1S/C17H14N2/c18-16-13-7-3-4-8-15(13)19-17-12-6-2-1-5-11(12)9-10-14(16)17/h1-8H,9-10H2,(H2,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.10 | OCHEM | 1 » 0 |
| 8.10 | AvLiLuMoVe | 1 » 0 |
| 8.10 | Settimo | 1 » 0 |